5-methyl-2-(3-methylthiophen-2-yl)-6-phenylpyrimidin-4-amine

C16H15N3S — CID 104846927

IUPAC5-methyl-2-(3-methylthiophen-2-yl)-6-phenylpyrimidin-4-amine
SMILESCc1ccsc1-c1nc(N)c(C)c(-c2ccccc2)n1
InChIInChI=1S/C16H15N3S/c1-10-8-9-20-14(10)16-18-13(11(2)15(17)19-16)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyZHERBADQUTVXRQ-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.07
Rot. Bonds2

About 5-methyl-2-(3-methylthiophen-2-yl)-6-phenylpyrimidin-4-amine

5-methyl-2-(3-methylthiophen-2-yl)-6-phenylpyrimidin-4-amine (PubChem CID 104846927) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-methyl-2-(3-methylthiophen-2-yl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-(3-methylthiophen-2-yl)-6-phenylpyrimidin-4-amine
PubChem CID104846927
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name5-methyl-2-(3-methylthiophen-2-yl)-6-phenylpyrimidin-4-amine
SMILESCc1ccsc1-c1nc(N)c(C)c(-c2ccccc2)n1
InChIInChI=1S/C16H15N3S/c1-10-8-9-20-14(10)16-18-13(11(2)15(17)19-16)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyZHERBADQUTVXRQ-UHFFFAOYSA-N
XLogP4.07
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylthiophen-2-yl)-6-phenylpyrimidin-4-amine?
The IUPAC name of 5-methyl-2-(3-methylthiophen-2-yl)-6-phenylpyrimidin-4-amine (CID 104846927) is 5-methyl-2-(3-methylthiophen-2-yl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-(3-methylthiophen-2-yl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-(3-methylthiophen-2-yl)-6-phenylpyrimidin-4-amine is Cc1ccsc1-c1nc(N)c(C)c(-c2ccccc2)n1.
What is the InChIKey of 5-methyl-2-(3-methylthiophen-2-yl)-6-phenylpyrimidin-4-amine?
The InChIKey is ZHERBADQUTVXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-10-8-9-20-14(10)16-18-13(11(2)15(17)19-16)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 5-methyl-2-(3-methylthiophen-2-yl)-6-phenylpyrimidin-4-amine?
5-methyl-2-(3-methylthiophen-2-yl)-6-phenylpyrimidin-4-amine has a molecular weight of 281.38 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylthiophen-2-yl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 104846927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).